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	hartrees
Energy at 0K	-316.348590
Energy at 298.15K
HF Energy	-315.431392
Nuclear repulsion energy	214.581856

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	-0.057	0.000
C2	-0.002	1.268	0.000
N3	0.108	2.446	0.000
C4	-0.002	-0.758	1.240
C5	-0.002	-0.758	-1.240
N6	-0.002	-1.312	2.233
N7	-0.002	-1.312	-2.233
H8	-0.675	3.075	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3245	2.5056	1.4241	1.4241	2.5616	2.5616	3.2032
C2	1.3245		1.1838	2.3747	2.3747	3.4118	3.4118	1.9286
N3	2.5056	1.1838		3.4374	3.4374	4.3730	4.3730	1.0040
C4	1.4241	2.3747	3.4374		2.4794	1.1374	3.5166	4.0841
C5	1.4241	2.3747	3.4374	2.4794		3.5166	1.1374	4.0841
N6	2.5616	3.4118	4.3730	1.1374	3.5166		4.4659	4.9683
N7	2.5616	3.4118	4.3730	3.5166	1.1374	4.4659		4.9683
H8	3.2032	1.9286	1.0040	4.0841	4.0841	4.9683	4.9683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.681	C1	C4	N6	179.673
C1	C5	N7	179.673	C2	C1	C4	119.486
C2	C1	C5	119.486	C2	N3	H8	123.439
C4	C1	C5	121.027

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)

using model chemistry: CISD/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)